SCHEMBL20560918

SCHEMBL20560918

C[Si](C)(C)CCOCn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc(SC(F)F)ccc1OC(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.52
JAK2 O60674 19/20 0.51
JAK1 P23458 19/20 0.51
TYK2 P29597 9/20 0.51
JAK3 P52333 9/20 0.51
LRRK2 Q5S007 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18893906 0.95 IRAK4 (0.51) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL18894024 0.94 IRAK4 (0.52) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL31039847 0.94 IRAK4 (0.52) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL18893912 0.93 IRAK4 (0.54) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL20560477 0.92 IRAK4 (0.51) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL20560453 0.92 JAK2 (0.51) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29489741 0.92 JAK2 (0.51) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL18893939 0.92 IRAK4 (0.50) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL20560479 0.91 JAK2 (0.58) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL30273461 0.91 JAK2 (0.58) IRAK4JAK2JAK1TYK2JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230206644-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS JAK INHIBITORS GENENTECH, INC. (US) 2023-06-29 US disclosed
US-20220024945-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-01-27 US disclosed
US-20220024945-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-01-27 US disclosed
EP-3740488-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS JAK INHIBITORS F. Hoffmann-La Roche AG (CH) 2020-11-25 EP disclosed
US-20200339604-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS JAK INHIBITORS GENENTECH, INC. (US) 2020-10-29 US disclosed
EP-3630767-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-04-08 EP disclosed
US-20200062779-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-02-27 US disclosed
WO-2018215390-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-11-29 WO disclosed
US-20180334465-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-11-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220024945-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 IRAK4 27/4885JAK2 1/4885JAK1 2/4885
US-20200062779-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 IRAK4 27/4885JAK2 1/4885JAK1 2/4885
US-20180334465-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 IRAK4 27/4885JAK2 1/4885JAK1 2/4885
US-20200339604-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS JAK INHIBITORS JAK2, JAK1, JAK3 IRAK4 13/4885JAK2 1/4885JAK1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.